butyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoate

Systemtic Name: butyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-acrylic acid butyl ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC2=C(C(=C1)Cl)OCCCO2)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CC2=C(C(=C1)Cl)OCCCO2)/C#N

InChI

InChI=1S/C17H18ClNO4/c1-2-3-5-23-17(20)13(11-19)8-12-9-14(18)16-15(10-12)21-6-4-7-22-16/h8-10H,2-7H2,1H3/b13-8+